Introduction I. Finding structure in solid materials that are the most stable (least power or no power) to make it aware of the relationship between the atoms, which is extremely important in the process of political science. The structure is a large group of atoms is very difficult to determine because of the complex structure in power calculation depends on the atomic number, which is studying the process may take more than one year, in order to calculate the correct energy. So we are looking for new methods to reduce freckles buan said an alternative to reduce it is to predict the structure calculation by the computer on which the process this process is made easier and cheaper cost of experiments in the laboratory. It also can be used to monitor the various materials normally cannot do experiments, such as the structure, as of senile internal pressure of large planets, which perhaps has found a new material which can be applied to synthesis and utilization. We do not know anything about the structure with low power is the reason that makes the jump to search structured buan, random searching or Ab initio random structure, which is a live action buan, definitions and principles of science to. In our research, we have developed a process to find a random structure. Efficient, and can be used alongside theory DFT function final lokwam density or to the unstable structure. In this research, program development, Java language of the search process and structure using VASP 5.2. For the calculation of DFT
การแปล กรุณารอสักครู่..